Monomers

Triallyl citrate

Identifiers

IUPAC name
tris(prop-2-enyl) 2-hydroxypropane-1,2,3-tricarboxylate
InchI
InChI=1S/C15H20O7/c1-4-7-20-12(16)10-15(19,14(18)22-9-6-3)11-13(17)21-8-5-2/h4-6,19H,1-3,7-11H2
InchI Key
PLCFYBDYBCOLSP-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(CC(=O)OCC=C)(CC(=O)OCC=C)O
Canonical SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Isomeric SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C15H20O7
Heavy Atom Count
22
Molecular Weight
312.318
Exact Molecular Weight
312.1209
Valence Electrons
122
Radical Electrons
0
tPSA
99.13
MolLogP
0.6853
H Bond Acceptors
7
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 42 41  0  0  0  0  0  0  0  0999 V2000
   -3.6157    4.1935    0.6002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3093    3.1075   -0.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1281    3.0220   -0.9722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2457    1.9739   -0.5497 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0763    1.6806   -1.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1761    2.4208   -2.2019 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9034    0.6368   -0.8524 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5327    0.8689    0.5048 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5291   -0.1440    0.8434 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8544   -0.2883    2.0615 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1460   -0.9589   -0.0821 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0921   -1.9033    0.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2486   -1.3055    1.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5050   -1.6529    2.2894 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3226   -0.7436   -0.8919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7762   -1.0218    0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1969   -0.1753    0.8307 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4189   -2.2549    0.0417 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4867   -2.5384    0.9255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6346   -1.6510    0.7447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8165   -2.1562    0.4183 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9671    0.7239   -1.7712 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4849    4.2315    1.2359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9436    5.0514    0.4968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9556    2.2453   -0.0095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5577    3.9642   -0.8466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3726    2.9533   -2.0498 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0503    1.8717    0.4189 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7672    0.9076    1.3153 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6674   -2.7172    0.9661 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4711   -2.3884   -0.5935 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9056   -0.5858    0.5656 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8804   -2.3715    2.8173 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3543   -1.2342    2.8489 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0818   -1.5358   -0.7512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0065   -0.8898   -1.9786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7972   -3.5837    0.7373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1785   -2.4963    1.9862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5846   -0.5666    0.8628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9388   -3.2250    0.2840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7072   -1.5537    0.2692 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7770    0.0893   -2.5110 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  3
  7 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  3
  7 22  1  0
  1 23  1  0
  1 24  1  0
  2 25  1  0
  3 26  1  0
  3 27  1  0
  8 28  1  0
  8 29  1  0
 12 30  1  0
 12 31  1  0
 13 32  1  0
 14 33  1  0
 14 34  1  0
 15 35  1  0
 15 36  1  0
 19 37  1  0
 19 38  1  0
 20 39  1  0
 21 40  1  0
 21 41  1  0
 22 42  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers